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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1788386
CHEMBL1788386
Compound Name TETRAMETHRIN
ChEMBL Synonyms TETRAMETHRIN
Max Phase 0
Trade Names
Molecular Formula C19H25NO4

Additional synonyms for CHEMBL1788386 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C)C
Standard InChI InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20- ...
Download InChI
Standard InChI Key CXBMCYHAMVGWJQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1788386

Molecule Features

CHEMBL1788386 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov TETRAMETHRIN
The Cochrane Collaboration TETRAMETHRIN

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1788386. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2065 Beta-lactamase TEM Escherichia coli 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.987
CHEMBL5956 Beta-lactamase SHV-1 Escherichia coli 0.955
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.923
CHEMBL2725 Beta-lactamase Enterobacter cloacae 0.767
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.583
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.268
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.262
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.243



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2065 Beta-lactamase TEM Escherichia coli 1.000
CHEMBL4114 Beta-lactamase Staphylococcus aureus 0.948
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.933
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.914
CHEMBL5956 Beta-lactamase SHV-1 Escherichia coli 0.826
CHEMBL2725 Beta-lactamase Enterobacter cloacae 0.703
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.665
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.588
CHEMBL3499 Beta-lactamase class C Enterobacter cloacae 0.506
CHEMBL1993 DNA (cytosine-5)-methyltransferase 1 Homo sapiens 0.458
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.332
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.324
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.270

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
331.4 331.1784 2.96 4 63.68 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.68 4.68 0 24 0.45

Structural Alerts

There are 5 structural alerts for CHEMBL1788386. To view alerts please click here.

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P03 - ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
P03B - INSECTICIDES AND REPELLENTS
P03BA - Pyrethrines
P03BA04 - tetramethrin

IRAC A - NERVE ACTION
A3 - SODIUM CHANNEL MODULATORS
A33A - PYRETHROIDS, PYRETHRINS
A33A40 - TETRAMETHRIN
ChemSpider ChemSpider:CXBMCYHAMVGWJQ-UHFFFAOYSA-N
PubChem SID: 50113148

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1788386



ACToR 66525-27-7
ChEBI 39397
ChemicalBook CB9420520
DrugCentral 4730
eMolecules 510263 26985589
EPA CompTox Dashboard DTXSID6032649
IBM Patent System 1FF7B7276F0A2B917F1F81C9764899EF
KEGG Ligand C18373
MolPort MolPort-003-699-312
Nikkaji J4.417B
PubChem 83975
PubChem: Thomson Pharma 14826726
SureChEMBL SCHEMBL27009

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/CXBMCYHAMVGWJQ-UHFFFAOYSA-N spacer
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